tert-butyl 3-({[1-(4-fluorobenzyl)-2,3-dimethyl-1H-indol-5-yl]carbonyl}amino)pyrrolidine-1-carboxylate | 947413-20-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: tert-butyl 3-({[1-(4-fluorobenzyl)-2,3-dimethyl-1H-indol-5-yl]carbonyl}amino)pyrrolidine-1-carboxylate
• 英文别名: tert-butyl 3-[[1-[(4-fluorophenyl)methyl]-2,3-dimethylindole-5-carbonyl]amino]pyrrolidine-1-carboxylate
• CAS: 947413-20-9
• 化学式: C₂₇H₃₂FN₃O₃
• 分子量: 465.568
• InChiKey: ZMGSZWSIGHULKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-({[1-(4-fluorobenzyl)-2,3-dimethyl-1H-indol-5-yl]carbonyl}amino)pyrrolidine-1-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 0.25h， 生成 1-(4-fluorobenzyl)-2,3-dimethyl-N-pyrrolidin-3-yl-1H-indole-5-carboxamide hydrochloride
  参考文献：
  名称：

  EP1988076

  摘要：

  公开号：

文献信息

• AMIDE DERIVATIVE OR SALT THEREOF
  申请人：Kaku Hidetaka

  公开号：US20090062363A1

  公开（公告）日：2009-03-05

  [Problem] To provide a compound which can be used for the prevention and/or treatment of diseases in which 5-HT 2B receptor and 5-HT 7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS). [Means for Resolution] It was found that an amide derivative characterized by the possession of a nitrogen-containing bicyclic hetero ring (e.g., an indole or the like), or a pharmaceutically acceptable salt thereof, has a strong antagonism for both of the 5-HT 2B receptor and 5-HT 7 receptor. In addition, the compound of the present invention having the antagonistic activity for both of the receptors showed a good pharmacological action in comparison with the case in which an antagonist selective for either one of the receptors was used alone. Based on the above, the compound of the present invention is useful for the prevention and/or treatment of diseases in which 5-HT 2B receptor and 5-HT 7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS).

  [问题] 提供一种可用于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病的化合物，特别是用于治疗肠易激综合征（IBS）。 [解决方法] 发现一种具有含氮双环杂环（例如吲哚或类似物）的酰胺衍生物或其药学上可接受的盐具有强烈的5-HT2B受体和5-HT7受体的拮抗作用。此外，本发明的化合物具有对两种受体的拮抗活性，与仅使用选择性拮抗剂相比，表现出良好的药理作用。基于上述，本发明的化合物可用于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病，特别是用于治疗肠易激综合征（IBS）。
• Amide derivative or salt thereof
  申请人：Astellas Pharma Inc.

  公开号：US07985764B2

  公开（公告）日：2011-07-26

  It was found that a compound according to the following formula: or a pharmaceutically acceptable salt thereof, has a strong antagonism for both the 5-HT2B and 5-HT7 receptors. In addition, the compound shows good pharmacological action as compared to antagonists selective for only one of these receptors. Based on the above, the compound of the present invention is useful for the prevention and/or treatment of diseases in which 5-HT2B receptor and 5-HT7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS).

  发现一种化合物，其化学式如下：或其药学上可接受的盐，具有对5-HT2B和5-HT7受体的强烈拮抗作用。此外，与仅选择其中一个受体的拮抗剂相比，该化合物显示出良好的药理作用。基于上述，本发明的化合物对于预防和/或治疗5-HT2B受体和5-HT7受体相关的疾病，特别是治疗肠易激综合征（IBS）非常有用。
• US7985764B2
  申请人：——

  公开号：US7985764B2

  公开（公告）日：2011-07-26
• EP1988076
  申请人：——

  公开号：——

  公开（公告）日：——